1-(aminomethyl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide

Systemtic Name: 1-(aminomethyl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide Openeye Name: 1-(aminomethyl)-3-[1-(3-phenylpropyl)-4-piperidyl]isochromane-5,6-diol dihydrobromide CAS Name: 1-(aminomethyl)-3-[1-(3-phenylpropyl)-4-piperidinyl]-3,4-dihydro-1H-2-benzopyran-5,6-diol dihydrobromide IUPAC Name: 1-(aminomethyl)-3-[1-(3-phenylpropyl)piperidin-4-yl]-3,4-dihydro-1H-isochromene-5,6-diol dihydrobromide Traditional Name: 1-(aminomethyl)-3-[1-(3-phenylpropyl)-4-piperidyl]isochroman-5,6-diol dihydrobromide Formula: C24H34Br2N2O3 MolecularWeight: 558.34636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CC3=C(C=CC(=C3O)O)C(O2)CN)CCCC4=CC=CC=C4.Br.Br

Isomeric SMILES

C1CN(CCC1C2CC3=C(C=CC(=C3O)O)C(O2)CN)CCCC4=CC=CC=C4.Br.Br

InChI

InChI=1S/C24H32N2O3.2BrH/c25-16-23-19-8-9-21(27)24(28)20(19)15-22(29-23)18-10-13-26(14-11-18)12-4-7-17-5-2-1-3-6-17;;/h1-3,5-6,8-9,18,22-23,27-28H,4,7,10-16,25H2;2*1H